Spektraris NMR
8-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one
Common Name: 8-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one
Synonyms: 8-methoxy-7-(3-methylbut-2-enoxy)chromen-2-one
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-10(2)8-9-18-12-6-4-11-5-7-13(16)19-14(11)15(12)17-3/h4-8H,9H2,1-3H3
InChIKey: InChIKey=KBHJUIRMCYXTBK-UHFFFAOYSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harayama, T., Katsuno, K., Nishita, Y., Fujii, M. Chem Pharm Bull (1994) 42, 550-1552
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 2 (C) | 160.6 |
| 3 (CH) | 113.3 |
| 4 (CH) | 143.6 |
| 5 (CH) | 122.6 |
| 6 (CH) | 110 |
| 7 (C) | 154.9 |
| 8 (C) | 136.5 |
| 9 (C) | 148.6 |
| 10 (C) | 113.6 |
| 7a (CH2) | 66.1 |
| 7b (CH) | 119 |
| 7c (C) | 138.6 |
| 7d (CH3) | 25.7 |
| 7e (CH3) | 18.2 |
| 8a (CH3) | 61.3 |
